SCHEMBL31489013

SCHEMBL31489013

CC(C)(O)C(=O)N1CCC(c2ccc(NC(=O)Oc3ccccc3)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.66
CCR1 P32246 1/20 0.53
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
GAA P10253 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 5/20 0.49
MAPT P10636 4/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TP53 P04637 2/20 0.48
LMNA P02545 1/20 0.48
KDM4E B2RXH2 2/20 0.47
USP2 O75604 1/20 0.47
THRB P10828 1/20 0.46
GFER P55789 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31488909 0.88 NAMPT (0.52) NAMPTCCR1CYP3A4CYP2C9GAA
SCHEMBL31488900 0.86 NAMPT (0.68) NAMPTCCR1CYP3A4CYP2C9GAA
SCHEMBL25567301 0.86 NAMPT (0.69) NAMPTCCR1GAANPSR1ALDH1A1
SCHEMBL1988842 0.82 NAMPT (0.60) NAMPTGAANPSR1ALDH1A1MAPT
SCHEMBL29537824 0.82 NAMPT (0.60) NAMPTGAANPSR1ALDH1A1MAPT
SCHEMBL1988843 0.82 NAMPT (0.60) NAMPTGAANPSR1ALDH1A1MAPT
SCHEMBL29739410 0.82 ALDH1A1 (0.62) GAANPSR1ALDH1A1MAPTKMT2A
SCHEMBL31489108 0.80 ALDH1A1 (0.49) NAMPTGAANPSR1ALDH1A1MAPT
SCHEMBL3704659 0.80 NAMPT (1.00) NAMPTCYP3A4CYP2C9
SCHEMBL29177237 0.79 ALDH1A1 (0.59) GAANPSR1ALDH1A1MAPTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025072437-A1 HETEROARYL COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ALPHINA THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed